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expose the test set generator (used in CSP test) as an opensource uti… #76

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merged 22 commits into from
Mar 25, 2025

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jasonccole
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…lity (NO_JIRA)

This is a utility the we used in the 6th blind test to create test suite entry lists. I've talked with people internally and its felt this would actually be a useful thing for others (one advantage of this is that you can create easy to read control files that provide a narrative for the construction of a test set.)

I will, at some point, extend the script to provide a filter based on SMARTS patterns as that will make it very powerful.

@jasonccole jasonccole requested a review from Alex-AMC March 18, 2025 09:39
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Remaining comments which cannot be posted as a review comment to avoid GitHub Rate Limit

flake8

🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


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expected 2 blank lines after class or function definition, found 1


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🚫 [flake8] <231> reported by reviewdog 🐶
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🚫 [flake8] <231> reported by reviewdog 🐶
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🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
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class AllHaveSitesFilter(_ComparativeFilter):


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🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
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expected 2 blank lines after class or function definition, found 1


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🚫 [flake8] <231> reported by reviewdog 🐶
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expected 2 blank lines after class or function definition, found 1


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🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


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return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
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🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <231> reported by reviewdog 🐶
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🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
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🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (3)


🚫 [flake8] <402> reported by reviewdog 🐶
module level import not at top of file


🚫 [flake8] <302> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <221> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.aacani_ten = self.reader.entry("AACANI10")


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


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indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aabhtz))


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self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aabhtz))


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self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <114> reported by reviewdog 🐶
indentation is not a multiple of 4 (comment)


🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.aabhtz))


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self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <117> reported by reviewdog 🐶
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🚫 [flake8] <111> reported by reviewdog 🐶
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self.assertTrue(evaluator.evaluate(self.abadis))


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too many blank lines (2)


[flake8] <841> reported by reviewdog 🐶
local variable 'counter' is assigned to but never used


🚫 [flake8] <231> reported by reviewdog 🐶
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test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <111> reported by reviewdog 🐶
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🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <202> reported by reviewdog 🐶
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self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


[flake8] <401> reported by reviewdog 🐶
'os' imported but unused


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser = argparse.ArgumentParser( description=__doc__,


🚫 [flake8] <202> reported by reviewdog 🐶
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formatter_class=argparse.RawDescriptionHelpFormatter )


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
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parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is not None:'


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


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missing whitespace around operator


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expected 2 blank lines, found 0


⚠️ [flake8] <291> reported by reviewdog 🐶
trailing whitespace

''' Register a filter class to use in the script.


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🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


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🚫 [flake8] <111> reported by reviewdog 🐶
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txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '['


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ']'


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

contains[x.atomic_number] = contains[x.atomic_number] + 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1

class AllHaveSitesFilter(_ComparativeFilter):


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (3)


🚫 [flake8] <402> reported by reviewdog 🐶
module level import not at top of file


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.aacani_ten = self.reader.entry("AACANI10")


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <114> reported by reviewdog 🐶
indentation is not a multiple of 4 (comment)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.abadis))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


[flake8] <841> reported by reviewdog 🐶
local variable 'counter' is assigned to but never used


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


[flake8] <401> reported by reviewdog 🐶
'os' imported but unused


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser = argparse.ArgumentParser( description=__doc__,


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

formatter_class=argparse.RawDescriptionHelpFormatter )


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is not None:'


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <225> reported by reviewdog 🐶
missing whitespace around operator

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This looks really helpful! Glad to see it added to the open source repo 🙌
I've made some suggestions and asked some questions based on just the code without running it. I had a quick look at the Sonar comments and it does seem to highlight maybe some problems?

Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
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Remaining comments which cannot be posted as a review comment to avoid GitHub Rate Limit

flake8

🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (3)


🚫 [flake8] <402> reported by reviewdog 🐶
module level import not at top of file


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.aacani_ten = self.reader.entry("AACANI10")


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <114> reported by reviewdog 🐶
indentation is not a multiple of 4 (comment)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.abadis))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


[flake8] <841> reported by reviewdog 🐶
local variable 'counter' is assigned to but never used


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


[flake8] <401> reported by reviewdog 🐶
'os' imported but unused


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser = argparse.ArgumentParser( description=__doc__,


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

formatter_class=argparse.RawDescriptionHelpFormatter )


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is not None:'


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <225> reported by reviewdog 🐶
missing whitespace around operator


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 0


⚠️ [flake8] <291> reported by reviewdog 🐶
trailing whitespace

''' Register a filter class to use in the script.


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '['


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ']'


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

contains[x.atomic_number] = contains[x.atomic_number] + 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1

class AllHaveSitesFilter(_ComparativeFilter):


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (3)


🚫 [flake8] <402> reported by reviewdog 🐶
module level import not at top of file


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.aacani_ten = self.reader.entry("AACANI10")


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <114> reported by reviewdog 🐶
indentation is not a multiple of 4 (comment)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.abadis))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


[flake8] <841> reported by reviewdog 🐶
local variable 'counter' is assigned to but never used


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


[flake8] <401> reported by reviewdog 🐶
'os' imported but unused


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser = argparse.ArgumentParser( description=__doc__,


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

formatter_class=argparse.RawDescriptionHelpFormatter )


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is not None:'


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <225> reported by reviewdog 🐶
missing whitespace around operator

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Remaining comments which cannot be posted as a review comment to avoid GitHub Rate Limit

flake8

🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (3)


🚫 [flake8] <402> reported by reviewdog 🐶
module level import not at top of file


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.aacani_ten = self.reader.entry("AACANI10")


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <114> reported by reviewdog 🐶
indentation is not a multiple of 4 (comment)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.abadis))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


[flake8] <841> reported by reviewdog 🐶
local variable 'counter' is assigned to but never used


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


[flake8] <401> reported by reviewdog 🐶
'os' imported but unused


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser = argparse.ArgumentParser( description=__doc__,


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

formatter_class=argparse.RawDescriptionHelpFormatter )


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is not None:'


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <225> reported by reviewdog 🐶
missing whitespace around operator


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 0


⚠️ [flake8] <291> reported by reviewdog 🐶
trailing whitespace

''' Register a filter class to use in the script.


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

txt = txt + " %s -> %s," % ( name, cls.helptext() )


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '['


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ']'


🚫 [flake8] <261> reported by reviewdog 🐶
at least two spaces before inline comment


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

contains[x.atomic_number] = contains[x.atomic_number] + 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1

class AllHaveSitesFilter(_ComparativeFilter):


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

return sum( x.is_rotatable for x in molecule.bonds )


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <305> reported by reviewdog 🐶
expected 2 blank lines after class or function definition, found 1


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (3)


🚫 [flake8] <402> reported by reviewdog 🐶
module level import not at top of file


🚫 [flake8] <302> reported by reviewdog 🐶
expected 2 blank lines, found 1


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.aacani_ten = self.reader.entry("AACANI10")


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aadamc))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <114> reported by reviewdog 🐶
indentation is not a multiple of 4 (comment)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aacani_ten))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.aabhtz))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertFalse(evaluator.evaluate(self.aadrib))


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4

self.assertTrue(evaluator.evaluate(self.abadis))


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)


[flake8] <841> reported by reviewdog 🐶
local variable 'counter' is assigned to but never used


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

test_entries = ['AABHTZ','ABAQEB','ABELEY', 'ADAQOM','ADARAA','ADARAZ','ADUWIG','AFEREK']


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <117> reported by reviewdog 🐶
over-indented


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <111> reported by reviewdog 🐶
indentation is not a multiple of 4


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

self.assertEquals( ['ABAQEB','ABELEY','ADAQOM','ADUWIG','AFEREK'], hits )


[flake8] <401> reported by reviewdog 🐶
'os' imported but unused


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser = argparse.ArgumentParser( description=__doc__,


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

formatter_class=argparse.RawDescriptionHelpFormatter )


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is not None:'


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <225> reported by reviewdog 🐶
missing whitespace around operator

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Remaining comments which cannot be posted as a review comment to avoid GitHub Rate Limit

flake8

🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <225> reported by reviewdog 🐶
missing whitespace around operator


🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <722> reported by reviewdog 🐶
do not use bare 'except'


🚫 [flake8] <402> reported by reviewdog 🐶
module level import not at top of file


[flake8] <841> reported by reviewdog 🐶
local variable 'counter' is assigned to but never used


[flake8] <401> reported by reviewdog 🐶
'os' imported but unused


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser = argparse.ArgumentParser( description=__doc__,


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

formatter_class=argparse.RawDescriptionHelpFormatter )


🚫 [flake8] <303> reported by reviewdog 🐶
too many blank lines (2)

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-r','--refcode_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-d','--database_file', help='input file containing the list of refcodes', default = None )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-c','--control_file', help='configuration file containing the desired properties\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-v','--get_values', action="store_true", help='calculate and print descriptor values where possible rather than filter\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <201> reported by reviewdog 🐶
whitespace after '('

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is not None:'


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <225> reported by reviewdog 🐶
missing whitespace around operator

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Remaining comments which cannot be posted as a review comment to avoid GitHub Rate Limit

flake8

🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <251> reported by reviewdog 🐶
unexpected spaces around keyword / parameter equals

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <202> reported by reviewdog 🐶
whitespace before ')'

parser.add_argument( '-o','--output_file', default = None, help='output CSV file for results\n\n %s' % (EntryPropertyCalculator.helptext()) )


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is not None:'


🚫 [flake8] <231> reported by reviewdog 🐶
missing whitespace after ','

filterer = EntryPropertyCalculator.parse_control_file(open(control_file,"r").readlines())


🚫 [flake8] <221> reported by reviewdog 🐶
multiple spaces before operator


🚫 [flake8] <711> reported by reviewdog 🐶
comparison to None should be 'if cond is None:'


🚫 [flake8] <225> reported by reviewdog 🐶
missing whitespace around operator

You can run the script with an Example file. Results are printed by default and can be redirected to be saved in an
output file, e.g.

~~~
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[markdownlint] reported by reviewdog 🐶
MD040/fenced-code-language Fenced code blocks should have a language specified [Context: "~~~"]

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Remaining comments which cannot be posted as a review comment to avoid GitHub Rate Limit

flake8

[flake8] <841> reported by reviewdog 🐶
local variable 'counter' is assigned to but never used


⚠️ [flake8] <292> reported by reviewdog 🐶
no newline at end of file

self.assertEqual(['ABAQEB', 'ABELEY', 'ADAQOM', 'ADUWIG', 'AFEREK'], hits)

…pensource/csd-python-api-scripts into no_jira_publish_testset_generator
@jasonccole jasonccole requested a review from Alex-AMC March 18, 2025 15:33
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Very nice !

@jasonccole jasonccole merged commit 7803c92 into main Mar 25, 2025
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2 participants